1-amino-3-ethoxycyclobutane-1-carbonitrile

C7H12N2O — CID 106822375

IUPAC1-amino-3-ethoxycyclobutane-1-carbonitrile
SMILESCCOC1CC(N)(C#N)C1
InChIInChI=1S/C7H12N2O/c1-2-10-6-3-7(9,4-6)5-8/h6H,2-4,9H2,1H3
InChIKeyIHEAVFHVDUTHNO-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.41
Rot. Bonds2

About 1-amino-3-ethoxycyclobutane-1-carbonitrile

1-amino-3-ethoxycyclobutane-1-carbonitrile (PubChem CID 106822375) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-amino-3-ethoxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-3-ethoxycyclobutane-1-carbonitrile
PubChem CID106822375
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-amino-3-ethoxycyclobutane-1-carbonitrile
SMILESCCOC1CC(N)(C#N)C1
InChIInChI=1S/C7H12N2O/c1-2-10-6-3-7(9,4-6)5-8/h6H,2-4,9H2,1H3
InChIKeyIHEAVFHVDUTHNO-UHFFFAOYSA-N
XLogP0.41
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxycyclobutane-1-carbonitrile?
The IUPAC name of 1-amino-3-ethoxycyclobutane-1-carbonitrile (CID 106822375) is 1-amino-3-ethoxycyclobutane-1-carbonitrile.
What is the SMILES notation for 1-amino-3-ethoxycyclobutane-1-carbonitrile?
The canonical SMILES for 1-amino-3-ethoxycyclobutane-1-carbonitrile is CCOC1CC(N)(C#N)C1.
What is the InChIKey of 1-amino-3-ethoxycyclobutane-1-carbonitrile?
The InChIKey is IHEAVFHVDUTHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-10-6-3-7(9,4-6)5-8/h6H,2-4,9H2,1H3.
What are the key properties of 1-amino-3-ethoxycyclobutane-1-carbonitrile?
1-amino-3-ethoxycyclobutane-1-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxycyclobutane-1-carbonitrile is sourced from PubChem (CID 106822375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).